| CAS Number | 33451-05-7 |
| Catalog Number | AG00CM7F(AGN-PC-0NJ95X) |
| Chemical Name | (3-Bromopropanesulfonyl)benzene |
| IUPAC Name | 3-bromopropylsulfonylbenzene |
| InChI | InChI=1S/C9H11BrO2S/c10-7-4-8-13(11,12)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2 |
| InChI Key | ZJVQVMPTLHGCSC-UHFFFAOYSA-N |
| MDL Number | MFCD11164522 |
| Molecular Formula | C9H11BrO2S |
| Molecular Weight | 263.1514 |
| SMILES | BrCCCS(C1=CC=CC=C1)(=O)=O |
| Synonyms | 33451-05-7,
(3-bromopropanesulfonyl)benzene,
((3-Bromopropyl)sulfonyl)benzene,
Benzene, [(3-bromopropyl)sulfonyl]-,
[(3-bromopropyl)sulfonyl]benzene,
bromopropyl phenyl sulfone,
(3-Bromopropyl)phenyl sulfone,
SCHEMBL4742560,
ZJVQVMPTLHGCSC-UHFFFAOYSA-N,
ZINC19788633,
NE15024,
(3-bromo-propane-1-sulfonyl)-benzene,
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.966g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.149g/mol |
| Monoisotopic Mass | 261.966g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number